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159112-93-3 | 4-Heptyn-2-one
CAS No: 159112-93-3 Catalog No: AG001QHQ MDL No:
Product Description
Catalog Number:
AG001QHQ
Chemical Name:
4-Heptyn-2-one
CAS Number:
159112-93-3
Molecular Formula:
C7H10O
Molecular Weight:
110.1537
IUPAC Name:
hept-4-yn-2-one
InChI:
InChI=1S/C7H10O/c1-3-4-5-6-7(2)8/h3,6H2,1-2H3
InChI Key:
OFFUFZKTFCPSKA-UHFFFAOYSA-N
SMILES:
CCC#CCC(=O)C
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.073g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.156g/mol
Monoisotopic Mass:
110.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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